1-[1-(3,4-difluorophenyl)ethyl]-3-(4-propylphenyl)urea

C18H20F2N2O — CID 112825000

IUPAC1-[1-(3,4-difluorophenyl)ethyl]-3-(4-propylphenyl)urea
SMILESCCCc1ccc(NC(=O)NC(C)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H20F2N2O/c1-3-4-13-5-8-15(9-6-13)22-18(23)21-12(2)14-7-10-16(19)17(20)11-14/h5-12H,3-4H2,1-2H3,(H2,21,22,23)
InChIKeyHDBFRAYUPCVMNI-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.80
Rot. Bonds5

About 1-[1-(3,4-difluorophenyl)ethyl]-3-(4-propylphenyl)urea

1-[1-(3,4-difluorophenyl)ethyl]-3-(4-propylphenyl)urea (PubChem CID 112825000) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-[1-(3,4-difluorophenyl)ethyl]-3-(4-propylphenyl)urea.

Molecular Properties

Compound Name1-[1-(3,4-difluorophenyl)ethyl]-3-(4-propylphenyl)urea
PubChem CID112825000
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name1-[1-(3,4-difluorophenyl)ethyl]-3-(4-propylphenyl)urea
SMILESCCCc1ccc(NC(=O)NC(C)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H20F2N2O/c1-3-4-13-5-8-15(9-6-13)22-18(23)21-12(2)14-7-10-16(19)17(20)11-14/h5-12H,3-4H2,1-2H3,(H2,21,22,23)
InChIKeyHDBFRAYUPCVMNI-UHFFFAOYSA-N
XLogP4.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[1-(3,4-difluorophenyl)ethyl]-3-(4-propylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-difluorophenyl)-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 47033191
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(4-propylphenyl)ethyl]urea
CID 29057331
1-[1-(3,4-difluorophenyl)ethyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 47033453
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405
1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 51650211
1-[4-(aminomethyl)phenyl]-3-[1-(4-fluorophenyl)ethyl]urea
CID 61499885
1-[3-(difluoromethoxy)phenyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 47039459
(2S)-3-methyl-2-[(4-propylphenyl)carbamoylamino]butanoic acid
CID 61197691
N-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide
CID 78778244
2-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]phenyl]-N-propan-2-ylacetamide
CID 95624398
5-bromo-N-[4-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46491324
1-(4-chlorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108868681

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-difluorophenyl)ethyl]-3-(4-propylphenyl)urea?
The IUPAC name of 1-[1-(3,4-difluorophenyl)ethyl]-3-(4-propylphenyl)urea (CID 112825000) is 1-[1-(3,4-difluorophenyl)ethyl]-3-(4-propylphenyl)urea.
What is the SMILES notation for 1-[1-(3,4-difluorophenyl)ethyl]-3-(4-propylphenyl)urea?
The canonical SMILES for 1-[1-(3,4-difluorophenyl)ethyl]-3-(4-propylphenyl)urea is CCCc1ccc(NC(=O)NC(C)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 1-[1-(3,4-difluorophenyl)ethyl]-3-(4-propylphenyl)urea?
The InChIKey is HDBFRAYUPCVMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c1-3-4-13-5-8-15(9-6-13)22-18(23)21-12(2)14-7-10-16(19)17(20)11-14/h5-12H,3-4H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[1-(3,4-difluorophenyl)ethyl]-3-(4-propylphenyl)urea?
1-[1-(3,4-difluorophenyl)ethyl]-3-(4-propylphenyl)urea has a molecular weight of 318.37 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-difluorophenyl)ethyl]-3-(4-propylphenyl)urea is sourced from PubChem (CID 112825000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).